| PDB CCD ID: | 0UP |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H32 F N3 O4 S |
| InChI: | InChI=1S/C24H32FN3O4S/c1-17(2)32-23-12-19(8-9-22(23)29)15-27-11-10-24(14-18(27)3)16-26(4)33(30,31)28(24)21-7-5-6-20(25)13-21/h5-9,12-13,17-18,29H,10-11,14-16H2,1-4H3/t18-,24+/m0/s1 |
| InChIKey: | UICGCQDWRACUBV-MHECFPHRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CC(C)Oc1cc(CN2CC[C]3(C[CH]2C)CN(C)[S](=O)(=O)N3c4cccc(F)c4)ccc1O | | ACDLabs 12.01 | Fc4cccc(N3C1(CCN(C(C)C1)Cc2ccc(O)c(OC(C)C)c2)CN(C)S3(=O)=O)c4 | | OpenEye OEToolkits 1.7.6 | C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C | | CACTVS 3.370 | CC(C)Oc1cc(CN2CC[C@@]3(C[C@@H]2C)CN(C)[S](=O)(=O)N3c4cccc(F)c4)ccc1O | | OpenEye OEToolkits 1.7.6 | CC1CC2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C |
|
| Name: | 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol |
| ChEMBL: | CHEMBL2177470 |
| ZINC: | ZINC000068199981 |
